cyclohexyl (4R)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4R)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C25H30BrNO3 MolecularWeight: 472.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C(=O)OC4CCCCC4

InChI

InChI=1S/C25H30BrNO3/c1-15-21(24(29)30-18-7-5-4-6-8-18)22(16-9-11-17(26)12-10-16)23-19(27-15)13-25(2,3)14-20(23)28/h9-12,18,22,27H,4-8,13-14H2,1-3H3/t22-/m0/s1